4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide

C22H17ClF3N3O3 — CID 143640158

IUPAC4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)ccn1
InChIInChI=1S/C22H17ClF3N3O3/c23-18-5-4-14(11-17(18)22(24,25)26)21(31)29-8-6-13-2-1-3-15(10-13)32-16-7-9-28-19(12-16)20(27)30/h1-5,7,9-12H,6,8H2,(H2,27,30)(H,29,31)
InChIKeyWSKVPSGLGPRXAO-UHFFFAOYSA-N
MW463.84 g/mol
LogP4.62
Rot. Bonds7

About 4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide

4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide (PubChem CID 143640158) has the molecular formula C22H17ClF3N3O3 and a molecular weight of 463.84 g/mol. Its IUPAC name is 4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
PubChem CID143640158
Molecular FormulaC22H17ClF3N3O3
Molecular Weight463.84 g/mol
Exact Mass463.09
IUPAC Name4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)ccn1
InChIInChI=1S/C22H17ClF3N3O3/c23-18-5-4-14(11-17(18)22(24,25)26)21(31)29-8-6-13-2-1-3-15(10-13)32-16-7-9-28-19(12-16)20(27)30/h1-5,7,9-12H,6,8H2,(H2,27,30)(H,29,31)
InChIKeyWSKVPSGLGPRXAO-UHFFFAOYSA-N
XLogP4.62
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.84
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide (CID 143640158) is 4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide is NC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)ccn1.
What is the InChIKey of 4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide?
The InChIKey is WSKVPSGLGPRXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N3O3/c23-18-5-4-14(11-17(18)22(24,25)26)21(31)29-8-6-13-2-1-3-15(10-13)32-16-7-9-28-19(12-16)20(27)30/h1-5,7,9-12H,6,8H2,(H2,27,30)(H,29,31).
What are the key properties of 4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide?
4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide has a molecular weight of 463.84 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 143640158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).